(1S)-1-[4-phenethyl-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: (1S)-1-[4-phenethyl-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-(5-benzylsulfonyl-4-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-1-[4-phenethyl-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-(5-benzylsulfonyl-4-phenethyl-1,2,4-triazol-3-yl)-2-phenylethanamine Traditional Name: [(1S)-1-(5-benzylsulfonyl-4-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]amine Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2S(=O)(=O)CC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2S(=O)(=O)CC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N4O2S/c26-23(18-21-12-6-2-7-13-21)24-27-28-25(29(24)17-16-20-10-4-1-5-11-20)32(30,31)19-22-14-8-3-9-15-22/h1-15,23H,16-19,26H2/t23-/m0/s1